Geometry & MOs

Info

ID:	194701
PubChem CID:	78577869
Reduced:	ClO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	422.175419
ΔH_f, kcal/mol:	13.3
Dipole, Da:	8.3
IP(EA), eV:	-5.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

5-(4-fluorophenyl)-2,4-dihydroxy-1,3,7-trimethyl-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-1,3-diium-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)[N+](=C([N+](=C2O)C)O)C)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations